PDB entry 4jv5



Structure
SpacegroupP 41 21 2
Cell dimensionsa: 401.000 Åb: 401.000 Åc: 176.000 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.16 Å

Experimental data
ReflectionsAll: 231145Test set: 11558 (5.0%)
Resolution range29.88 Å3.16 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19700.19820.19880.1992
R-free0.24900.24980.23780.2396
σR-free 0.00230.00220.0022
R-free Z-score -5.220.36-0.27

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.982-2.559-2.561
2nd generation packing quality1-3.228-2.813-2.857
Ramachandran plot appearance1-5.734-4.519-4.107
Chi-1/Chi-2 rotamer normality1-6.173-4.924-4.134
Backbone conformation1-1.406-0.898-0.959
Bond length RMS Z-score20.4990.3030.309
Bond angle RMS Z-score20.9000.6850.683
Total number of bumps3174510261099
Unsatisfied H-bond donors/acceptors3451395393
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues944
Significantly deteriorated residues708
Changes of all residuesPlot Plot

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